2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide

C20H25N3O — CID 786240

IUPAC2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESO=C(CN1CCCCCCC1)NN=Cc1cccc2ccccc12
InChIInChI=1S/C20H25N3O/c24-20(16-23-13-6-2-1-3-7-14-23)22-21-15-18-11-8-10-17-9-4-5-12-19(17)18/h4-5,8-12,15H,1-3,6-7,13-14,16H2,(H,22,24)
InChIKeyDUQFMVRSMVAZOQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.56
Rot. Bonds4

About 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide

2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide (PubChem CID 786240) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
PubChem CID786240
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESO=C(CN1CCCCCCC1)NN=Cc1cccc2ccccc12
InChIInChI=1S/C20H25N3O/c24-20(16-23-13-6-2-1-3-7-14-23)22-21-15-18-11-8-10-17-9-4-5-12-19(17)18/h4-5,8-12,15H,1-3,6-7,13-14,16H2,(H,22,24)
InChIKeyDUQFMVRSMVAZOQ-UHFFFAOYSA-N
XLogP3.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426518
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide;hydrate;hydrochloride
CID 134098075
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 92850907
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide (CID 786240) is 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide is O=C(CN1CCCCCCC1)NN=Cc1cccc2ccccc12.
What is the InChIKey of 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The InChIKey is DUQFMVRSMVAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(16-23-13-6-2-1-3-7-14-23)22-21-15-18-11-8-10-17-9-4-5-12-19(17)18/h4-5,8-12,15H,1-3,6-7,13-14,16H2,(H,22,24).
What are the key properties of 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide is sourced from PubChem (CID 786240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).